AC32064
850568-16-0 | 4-(2-Cyanoethylaminocarbonyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AC32064
ChemicalName
4-(2-Cyanoethylaminocarbonyl)phenylboronic acid
CasNumber
850568-16-0
MolecularFormula
C10H11BN2O3
MolecularWeight
218.0169
MdlNumber
MFCD04115669
Smiles
OB(c1ccc(cc1)C(=O)NCCC#N)O
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
4
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CatalogNumber: AC32064
ChemicalName: 4-(2-Cyanoethylaminocarbonyl)phenylboronic acid
CasNumber: 850568-16-0
MolecularFormula: C10H11BN2O3
MolecularWeight: 218.0169
MdlNumber: MFCD04115669
Smiles: OB(c1ccc(cc1)C(=O)NCCC#N)O
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 4
CatalogNumber:
AC32064
ChemicalName:
4-(2-Cyanoethylaminocarbonyl)phenylboronic acid
CasNumber:
850568-16-0
MolecularFormula:
C10H11BN2O3
MolecularWeight:
218.0169
MdlNumber:
MFCD04115669
Smiles:
OB(c1ccc(cc1)C(=O)NCCC#N)O
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
4
CatalogNumber: AC32065
ChemicalName: 3-Boronobenzothioamide
CasNumber: 850568-10-4
MolecularFormula: C7H8BNO2S
MolecularWeight: 181.0199
MdlNumber: MFCD06659873
Smiles: OB(c1cccc(c1)C(=S)N)O
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
CatalogNumber:
AC32065
ChemicalName:
3-Boronobenzothioamide
CasNumber:
850568-10-4
MolecularFormula:
C7H8BNO2S
MolecularWeight:
181.0199
MdlNumber:
MFCD06659873
Smiles:
OB(c1cccc(c1)C(=S)N)O
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
CatalogNumber: AC32066
ChemicalName: 4-Ethoxy-3-methylphenylboronic acid
CasNumber: 850568-08-0
MolecularFormula: C9H13BO3
MolecularWeight: 180.0087
MdlNumber: MFCD06659870
Smiles: CCOc1ccc(cc1C)B(O)O
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AC32066
ChemicalName:
4-Ethoxy-3-methylphenylboronic acid
CasNumber:
850568-08-0
MolecularFormula:
C9H13BO3
MolecularWeight:
180.0087
MdlNumber:
MFCD06659870
Smiles:
CCOc1ccc(cc1C)B(O)O
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AC32067
ChemicalName: 2-Aminomethyl-4-fluorophenylboronic acid, HCl
CasNumber: 850568-02-4
MolecularFormula: C7H10BClFNO2
MolecularWeight: 205.4222032
MdlNumber: MFCD04973742
Smiles: NCc1cc(F)ccc1B(O)O.Cl
Complexity: 147
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 4
RotatableBondCount: 2
CatalogNumber:
AC32067
ChemicalName:
2-Aminomethyl-4-fluorophenylboronic acid, HCl
CasNumber:
850568-02-4
MolecularFormula:
C7H10BClFNO2
MolecularWeight:
205.4222032
MdlNumber:
MFCD04973742
Smiles:
NCc1cc(F)ccc1B(O)O.Cl
Complexity:
147
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
4
RotatableBondCount:
2